2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C25H20N4O4S2 — CID 56971247

IUPAC2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C25H20N4O4S2/c30-24(27-19-7-11-21(12-8-19)35(31,32)29-25-26-13-14-34-25)16-33-20-9-5-17(6-10-20)23-15-18-3-1-2-4-22(18)28-23/h1-15,28H,16H2,(H,26,29)(H,27,30)
InChIKeyRWRYPSCTOQUAST-UHFFFAOYSA-N
MW504.59 g/mol
LogP5.11
Rot. Bonds8

About 2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 56971247) has the molecular formula C25H20N4O4S2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID56971247
Molecular FormulaC25H20N4O4S2
Molecular Weight504.59 g/mol
Exact Mass504.09
IUPAC Name2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C25H20N4O4S2/c30-24(27-19-7-11-21(12-8-19)35(31,32)29-25-26-13-14-34-25)16-33-20-9-5-17(6-10-20)23-15-18-3-1-2-4-22(18)28-23/h1-15,28H,16H2,(H,26,29)(H,27,30)
InChIKeyRWRYPSCTOQUAST-UHFFFAOYSA-N
XLogP5.11
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 56971247) is 2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is RWRYPSCTOQUAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4S2/c30-24(27-19-7-11-21(12-8-19)35(31,32)29-25-26-13-14-34-25)16-33-20-9-5-17(6-10-20)23-15-18-3-1-2-4-22(18)28-23/h1-15,28H,16H2,(H,26,29)(H,27,30).
What are the key properties of 2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 504.59 g/mol, XLogP of 5.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-2-yl)phenoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 56971247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).